5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one

C15H24N4O2 — CID 110201427

IUPAC5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCCn1cc(C(=O)N2CCCCCCNC(=O)CC2)cn1
InChIInChI=1S/C15H24N4O2/c1-2-19-12-13(11-17-19)15(21)18-9-6-4-3-5-8-16-14(20)7-10-18/h11-12H,2-10H2,1H3,(H,16,20)
InChIKeyNSHRTLDPMNZNQO-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.43
Rot. Bonds2

About 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one

5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one (PubChem CID 110201427) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one.

Molecular Properties

Compound Name5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
PubChem CID110201427
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one
SMILESCCn1cc(C(=O)N2CCCCCCNC(=O)CC2)cn1
InChIInChI=1S/C15H24N4O2/c1-2-19-12-13(11-17-19)15(21)18-9-6-4-3-5-8-16-14(20)7-10-18/h11-12H,2-10H2,1H3,(H,16,20)
InChIKeyNSHRTLDPMNZNQO-UHFFFAOYSA-N
XLogP1.43
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
The IUPAC name of 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one (CID 110201427) is 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one.
What is the SMILES notation for 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
The canonical SMILES for 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one is CCn1cc(C(=O)N2CCCCCCNC(=O)CC2)cn1.
What is the InChIKey of 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
The InChIKey is NSHRTLDPMNZNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-2-19-12-13(11-17-19)15(21)18-9-6-4-3-5-8-16-14(20)7-10-18/h11-12H,2-10H2,1H3,(H,16,20).
What are the key properties of 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one?
5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one has a molecular weight of 292.38 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazole-4-carbonyl)-1,5-diazacycloundecan-2-one is sourced from PubChem (CID 110201427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).